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Merge branch release-2018
[alexxy/gromacs.git]
/
src
/
gromacs
/
mdlib
/
sim_util.cpp
2018-01-04
Mark Abraham
Merge branch release-2018
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2017-12-22
Mark Abraham
Merge branch release-2016 into release-2018
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2017-12-21
Mark Abraham
Merge branch release-5-1 into release-2016
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2017-12-20
Mark Abraham
Merge "Merge branch release-2016 into release-2018...
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2017-12-20
Mark Abraham
Merge branch release-2016 into release-2018
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2017-12-14
Mark Abraham
Avoid confusing message at end of non-dynamical runs
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2017-12-14
Mark Abraham
Merge "Merge branch release-2016 into release-2018...
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2017-12-12
Berk Hess
Check for large energy at first step
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2017-12-12
Mark Abraham
Merge branch release-2016 into release-2018
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2017-12-06
Szilárd Páll
Implement alternating GPU wait
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2017-12-04
Mark Abraham
Merge branch release-2016 into release-2018
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2017-11-28
Szilárd Páll
Separate local GPU NB wait from emulation launch
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2017-11-28
Szilárd Páll
Refactor GPU rolling prune launch
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2017-11-24
Aleksei Iupinov
Do not call mixed CPU+GPU PME mode "Hybrid"
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2017-11-23
Szilárd Páll
Move GPU FFT/gather launch after GPU nonbondeds
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2017-11-21
Mark Abraham
Use much less PaddedRVecVector and more ArrayRef of...
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2017-11-19
Viveca Lindahl
Add AWH biasing module + tests
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2017-11-17
Mark Abraham
Improve handling of PME GPU force buffer
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2017-11-07
Szilárd Páll
Add wallcycle timer for the PME GPU F reduction
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2017-11-03
Mark Abraham
Merge "Merge branch release-2016"
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2017-11-02
Aleksei Iupinov
Replace math.h by cmath includes in cpp files
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2017-11-02
Mark Abraham
Merge branch release-2016
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2017-11-01
Aleksei Iupinov
Fix erroneous PME GPU "step" namings
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2017-10-27
Aleksei Iupinov
Replace a few asserts with GMX_ASSERT's
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2017-10-26
Szilárd Páll
Reorganize PME GPU launch
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2017-10-24
Aleksei Iupinov
Move commrec duty checking into simple getters
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2017-10-22
Aleksei Iupinov
Change PME GPU gather reduction argument from boolean...
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2017-10-21
Berk Hess
Merge "Merge branch release-2016"
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2017-10-21
Aleksei Iupinov
Add calls to the PME GPU stages
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2017-10-20
Mark Abraham
Merge branch release-2016
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2017-10-16
Mark Abraham
Merge branch release-2016
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2017-10-13
Roland Schulz
Replace all ConstArrayRef with ArrayRef<const T>
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2017-10-12
Berk Hess
Simplify virial handling
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2017-10-09
Aleksei Iupinov
PME GPU/CUDA data framework.
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2017-10-06
Berk Hess
Improve PaddedRVecVector resizing
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2017-10-05
Szilárd Páll
Refactor scaled box handling for PME/Ewald
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2017-10-05
Mark Abraham
Continue removing -nb gpu_cpu
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2017-10-04
Berk Hess
Remove a force buffer argument from IForceProvider
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2017-10-03
Berk Hess
Move calling of special force functions
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2017-10-02
Berk Hess
Remove hybrid gpu+cpu nonbonded mode
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2017-09-28
tomaskubar
QM/MM: remove optimization and trans. state search
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2017-09-26
Szilárd Páll
Rename GPU launch/wait cycle counters
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2017-09-25
Berk Hess
Set global state on master rank only
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2017-09-17
Mark Abraham
Merge branch release-2016
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2017-09-15
Berk Hess
Remove nb-parameters from t_forcerec
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2017-09-12
Mark Abraham
Merge branch release-2016
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2017-09-12
Szilárd Páll
Merge branch 'release-2016'
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2017-09-07
Mark Abraham
Introduce type-safe GPU emulation variables
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2017-09-03
Mark Abraham
Merge branch release-5-1 into release-2016
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2017-09-03
Berk Hess
Put mdrun options in structs
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2017-08-29
Roland Schulz
Enable missing declarations warning
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2017-08-22
Berk Hess
Enable dynamic pair list pruning
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2017-08-22
Mark Abraham
Merge branch release-2016
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2017-08-18
Berk Hess
Add CPU reference and SIMD pruning kernels
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2017-08-16
Berk Hess
Add dynamic pair-list pruning framework
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2017-08-15
Mark Abraham
Merge branch release-5-1 into release-2016
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2017-07-09
Berk Hess
Restructure the load balancing timing
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2017-07-04
Berk Hess
Unify nbnxn kernel dispatchers
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2017-07-04
Mark Abraham
Clean up pick_nbnxn_resources
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2017-06-30
M. Eric Irrgang
Mark unmodified input parameter as const.
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2017-06-29
Teemu Murtola
Generalize IForceProvider
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2017-06-28
Mark Abraham
Merge branch release-2016
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2017-06-27
Roland Schulz
Merge branch release-2016
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2017-05-09
Mark Abraham
Merge branch release-2016
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2017-04-03
Mark Abraham
Remove do_pbc_first
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2017-03-31
Mark Abraham
Merge branch release-2016
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2017-03-18
Gerrit Code Review
Merge "Merge branch release-2016"
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2017-03-14
Mark Abraham
Merge branch release-2016
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2017-03-09
Szilárd Páll
Fix mdrun hanging upon exit with sep PME ranks
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2017-03-04
Teemu Murtola
Remove MDModules use from mdlib
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2017-03-04
Teemu Murtola
Split md module facets to different interfaces
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2017-02-27
Teemu Murtola
Remove module references from t_inputrec
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2017-02-15
Mark Abraham
Merge branch release-5-1 into release-2016
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2017-02-09
Mark Abraham
Improved state_change_natoms and used it more
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2017-02-08
Gerrit Code Review
Merge "Merge branch release-2016"
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2017-02-07
Mark Abraham
Merge branch release-2016
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2017-02-05
Mark Abraham
Merge branch release-5-1 into release-2016
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2017-01-31
Mark Abraham
Merge branch release-5-1 into release-2016
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2017-01-30
Mark Abraham
Don't print invalid performance data
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2017-01-23
Mark Abraham
Stopped header files including state.h
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2017-01-21
Mark Abraham
Removed init_state
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2017-01-14
Mark Abraham
Merge branch release-2016
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2017-01-11
Roland Schulz
Tidy: modernize-use-nullptr
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2017-01-03
Mark Abraham
Merge branch release-5-1 into release-2016
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2016-12-20
Mark Abraham
Merge branch release-2016
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2016-12-12
Teemu Murtola
Merge branch release-2016
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2016-12-08
Berk Hess
Made mdrun -pforce terminate with non-finite forces
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2016-12-07
Mark Abraham
Merge branch release-2016
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2016-10-31
Mark Abraham
Merge branch release-2016
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2016-10-31
Mark Abraham
Merge branch release-2016
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2016-10-28
Berk Hess
Fix DLB timing with CUDA and OpenCL
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2016-10-09
Mark Abraham
Merge branch release-2016
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2016-10-07
David van der Spoel
Modularize electric field handling
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2016-10-07
Berk Hess
Changed fr->f_novirsum to PaddedRVecVector
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2016-10-03
Mark Abraham
Merge branch release-5-1 into release-2016
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2016-09-29
Berk Hess
Use std::vector in t_state
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2016-09-16
Berk Hess
Merge branch release-2016
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2016-09-08
Mark Abraham
Merge branch release-5-1 into release-2016
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2016-09-05
David van der Spoel
Merge "Merge branch release-2016"
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2016-09-04
Berk Hess
Merge branch release-2016
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biod.pnpi.spb.ru / alexxy / gromacs.git / history